1-(butan-2-ylamino)pentan-2-ol

C9H21NO — CID 21435603

IUPAC1-(butan-2-ylamino)pentan-2-ol
SMILESCCCC(O)CNC(C)CC
InChIInChI=1S/C9H21NO/c1-4-6-9(11)7-10-8(3)5-2/h8-11H,4-7H2,1-3H3
InChIKeyWFPWTIKDICYUSD-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.54
Rot. Bonds6

About 1-(butan-2-ylamino)pentan-2-ol

1-(butan-2-ylamino)pentan-2-ol (PubChem CID 21435603) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 1-(butan-2-ylamino)pentan-2-ol.

Molecular Properties

Compound Name1-(butan-2-ylamino)pentan-2-ol
PubChem CID21435603
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name1-(butan-2-ylamino)pentan-2-ol
SMILESCCCC(O)CNC(C)CC
InChIInChI=1S/C9H21NO/c1-4-6-9(11)7-10-8(3)5-2/h8-11H,4-7H2,1-3H3
InChIKeyWFPWTIKDICYUSD-UHFFFAOYSA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(propan-2-ylamino)pentan-2-ol
CID 20554634
(2S)-3-(butan-2-ylamino)propane-1,2-diol
CID 61149708
1-(butan-2-ylamino)-3-(diethylamino)propan-2-ol
CID 60710637
1-(3-methoxybutan-2-ylamino)pentan-2-ol
CID 115719384
1-(1-hydroxypropan-2-ylamino)butan-2-ol
CID 60885826
1-(pentan-2-ylamino)-3-propan-2-yloxypropan-2-ol
CID 60634427
1-[(1-methoxy-3-methylbutan-2-yl)amino]pentan-2-ol
CID 115719382
1-(1-cyclopentylethylamino)pentan-2-ol
CID 115719405
hexan-3-ol
CID 12178
1-[4-(4-methoxyphenyl)butan-2-ylamino]pentan-2-ol
CID 115719297
1-[3-(2-hydroxyundecylamino)butylamino]undecan-2-ol
CID 21332381
(2S)-4-(butan-2-ylamino)butan-2-ol
CID 130638354

Frequently Asked Questions

What is the IUPAC name of 1-(butan-2-ylamino)pentan-2-ol?
The IUPAC name of 1-(butan-2-ylamino)pentan-2-ol (CID 21435603) is 1-(butan-2-ylamino)pentan-2-ol.
What is the SMILES notation for 1-(butan-2-ylamino)pentan-2-ol?
The canonical SMILES for 1-(butan-2-ylamino)pentan-2-ol is CCCC(O)CNC(C)CC.
What is the InChIKey of 1-(butan-2-ylamino)pentan-2-ol?
The InChIKey is WFPWTIKDICYUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-4-6-9(11)7-10-8(3)5-2/h8-11H,4-7H2,1-3H3.
What are the key properties of 1-(butan-2-ylamino)pentan-2-ol?
1-(butan-2-ylamino)pentan-2-ol has a molecular weight of 159.27 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butan-2-ylamino)pentan-2-ol is sourced from PubChem (CID 21435603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).